U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YAl3Ag by Materials Project
Abstract
YAgAl3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to four equivalent Ag and twelve Al atoms. There are two shorter (3.52 Å) and two longer (3.53 Å) Y–Ag bond lengths. There are a spread of Y–Al bond distances ranging from 3.22–3.53 Å. Ag is bonded in a 12-coordinate geometry to four equivalent Y and eight Al atoms. There are four shorter (2.63 Å) and four longer (2.97 Å) Ag–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Y, four equivalent Ag, and four Al atoms to form a mixture of distorted face and corner-sharing AlY4Al4Ag4 cuboctahedra. All Al–Al bond lengths are 2.63 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to four equivalent Y, two equivalent Ag, and three Al atoms. The Al–Al bond length is 2.49 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to four equivalent Y, two equivalent Ag, and three Al atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1215933
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; YAl3Ag; Ag-Al-Y
- OSTI Identifier:
- 1730542
- DOI:
- https://doi.org/10.17188/1730542
Citation Formats
The Materials Project. Materials Data on YAl3Ag by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1730542.
The Materials Project. Materials Data on YAl3Ag by Materials Project. United States. doi:https://doi.org/10.17188/1730542
The Materials Project. 2019.
"Materials Data on YAl3Ag by Materials Project". United States. doi:https://doi.org/10.17188/1730542. https://www.osti.gov/servlets/purl/1730542. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1730542,
title = {Materials Data on YAl3Ag by Materials Project},
author = {The Materials Project},
abstractNote = {YAgAl3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to four equivalent Ag and twelve Al atoms. There are two shorter (3.52 Å) and two longer (3.53 Å) Y–Ag bond lengths. There are a spread of Y–Al bond distances ranging from 3.22–3.53 Å. Ag is bonded in a 12-coordinate geometry to four equivalent Y and eight Al atoms. There are four shorter (2.63 Å) and four longer (2.97 Å) Ag–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Y, four equivalent Ag, and four Al atoms to form a mixture of distorted face and corner-sharing AlY4Al4Ag4 cuboctahedra. All Al–Al bond lengths are 2.63 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to four equivalent Y, two equivalent Ag, and three Al atoms. The Al–Al bond length is 2.49 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to four equivalent Y, two equivalent Ag, and three Al atoms.},
doi = {10.17188/1730542},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}